[(2S)-butan-2-yl]-[4-(3-phenoxyphenoxy)butyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[4-(3-phenoxyphenoxy)butyl]azanium Openeye Name: [(1S)-1-methylpropyl]-[4-(3-phenoxyphenoxy)butyl]ammonium CAS Name: [(2S)-butan-2-yl]-[4-(3-phenoxyphenoxy)butyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[4-(3-phenoxyphenoxy)butyl]azanium Traditional Name: [(1S)-1-methylpropyl]-[4-(3-phenoxyphenoxy)butyl]ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CCCCOC1=CC=CC(=C1)OC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[NH2+]CCCCOC1=CC=CC(=C1)OC2=CC=CC=C2

InChI

InChI=1S/C20H27NO2/c1-3-17(2)21-14-7-8-15-22-19-12-9-13-20(16-19)23-18-10-5-4-6-11-18/h4-6,9-13,16-17,21H,3,7-8,14-15H2,1-2H3/p+1/t17-/m0/s1